N-benzyl-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide

C19H16FN3O4S — CID 53073606

IUPACN-benzyl-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide
SMILESO=C(Cn1nc(S(=O)(=O)c2cccc(F)c2)ccc1=O)NCc1ccccc1
InChIInChI=1S/C19H16FN3O4S/c20-15-7-4-8-16(11-15)28(26,27)18-9-10-19(25)23(22-18)13-17(24)21-12-14-5-2-1-3-6-14/h1-11H,12-13H2,(H,21,24)
InChIKeyIULXWURHMNATIU-UHFFFAOYSA-N
MW401.42 g/mol
LogP1.53
Rot. Bonds6

About N-benzyl-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide

N-benzyl-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide (PubChem CID 53073606) has the molecular formula C19H16FN3O4S and a molecular weight of 401.42 g/mol. Its IUPAC name is N-benzyl-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide
PubChem CID53073606
Molecular FormulaC19H16FN3O4S
Molecular Weight401.42 g/mol
Exact Mass401.08
IUPAC NameN-benzyl-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide
SMILESO=C(Cn1nc(S(=O)(=O)c2cccc(F)c2)ccc1=O)NCc1ccccc1
InChIInChI=1S/C19H16FN3O4S/c20-15-7-4-8-16(11-15)28(26,27)18-9-10-19(25)23(22-18)13-17(24)21-12-14-5-2-1-3-6-14/h1-11H,12-13H2,(H,21,24)
InChIKeyIULXWURHMNATIU-UHFFFAOYSA-N
XLogP1.53
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide (CID 53073606) is N-benzyl-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide is O=C(Cn1nc(S(=O)(=O)c2cccc(F)c2)ccc1=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide?
The InChIKey is IULXWURHMNATIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O4S/c20-15-7-4-8-16(11-15)28(26,27)18-9-10-19(25)23(22-18)13-17(24)21-12-14-5-2-1-3-6-14/h1-11H,12-13H2,(H,21,24).
What are the key properties of N-benzyl-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide?
N-benzyl-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide has a molecular weight of 401.42 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[3-(3-fluorophenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 53073606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).